SCHEMBL6977697

SCHEMBL6977697

CC(C)(C)OC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc2c(Cl)cnc(NC(=N)N)c2c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAU P00749 8/20 0.55
CASP3 P42574 2/20 0.49
RECQL P46063 1/20 0.41
TSHR P16473 2/20 0.40
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
AGTR1 P30556 1/20 0.38
MC4R P32245 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
PAX8 Q06710 1/20 0.38
GPR35 Q9HC97 1/20 0.38
TLR9 Q9NR96 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6435378 0.97 PLAU (0.55) PLAUCASP3RECQLTSHRHCRTR1
SCHEMBL6434561 0.97 PLAU (0.55) PLAUCASP3RECQLTSHRHCRTR1
SCHEMBL6437192 0.89 CASP3 (0.49) PLAUCASP3RECQLTSHRHCRTR1
Hydrochloric Acid SCHEMBL6437190 0.88 CASP3 (0.48) PLAUCASP3RECQLTSHRHCRTR1
SCHEMBL7375712 0.87 PLAU (0.71) PLAURECQLTSHRLMNA
SCHEMBL6434405 0.87 PLAU (0.71) PLAURECQLTSHRLMNA
Hydrochloric Acid SCHEMBL6435890 0.86 PLAU (0.70) PLAURECQLTSHRLMNA
SCHEMBL6437421 0.85 PLAU (0.70) PLAURECQLTSHRHCRTR1HCRTR2
SCHEMBL6434295 0.84 PLAU (0.70) PLAURECQLTSHRHCRTR1HCRTR2
SCHEMBL6438651 0.84 CASP3 (0.51) PLAUCASP3RECQLTSHRHCRTR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077945-B1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER (US) 2003-01-08 EP claimed
US-20030199440-A1 Composition for the treatment of damaged tissue PFIZER INC. 2003-10-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030199440-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 PLAU 119/4885CASP3 866/4885RECQL 2587/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.